[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H15ClN2O3S2/c1-11-6-7-12(8-13(11)19)20-16(22)9-24-17(23)10-25-18-21-14-4-2-3-5-15(14)26-18/h2-8H,9-10H2,1H3,(H,20,22)